(S) -Monophos

CAT: 0024-sc-236829Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-236829Size:100 mg

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CAS Number

185449-80-3

Chemical Information

(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine

CAS Number	185449-80-3
PubChem CID	10893715
IUPAC Name	N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Molecular Formula	C22H18NO2P
Molecular Weight	359.4
XLogP	6.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	26
Formal Charge	0
Complexity	461

SMILES

CN(C)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

InChI

InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3

InChIKey

QCHAVHXSBZARBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 185449-80-3

CID: 10893715

Formula: C22H18NO2P

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	359.10751581
Monoisotopic Mass	359.10751581
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	461
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215832	(S, R, S, S) -Orlistat
sc-258097	(S, S, S) -DiazaPhos-PPE
sc-250918A	(S, S) -Jacobsen's catalyst
sc-487380	(S, S, S) -Triglycidyl Isocyanurate
sc-250918	(S, S) -Jacobsen's catalyst
sc-471831	(S, S) -Oxaliplatin
sc-253457	(S, S) - (-) -Hydrobenzoin
sc-250916	(S, S) -DIPAMP
sc-477698	(R, S, S, S) -Nebivolol Hydrochloride
sc-229148	RuCl2[ (S) - (DM-BINAP) ][ (S, S) -DPEN]

Catalog	Name
TNU1631-01	N6-Methyladenosine 5'-monophos phate triethylammonium salt (neutral 4229-50-9)